SCHEMBL2866592

SCHEMBL2866592

O=C(NN=Cc1ccccc1)c1snnc1C1CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.66
KMT2A Q03164 6/20 0.66
MAPT P10636 4/20 0.51
ALDH1A1 P00352 1/20 0.51
ABCC8 Q09428 1/20 0.47
KCNJ11 Q14654 1/20 0.47
RAB9A P51151 4/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP2D6 P10635 1/20 0.45
FAAH O00519 1/20 0.44
THRB P10828 1/20 0.44
NPC1 O15118 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CYP2C9 P11712 1/20 0.44
KDM4E B2RXH2 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
HCRTR1 O43613 1/20 0.44
CA1 P00915 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2868672 1.00 MEN1 (0.66) MEN1KMT2AMAPTALDH1A1ABCC8
SCHEMBL2864481 0.76 MEN1 (0.43) MEN1KMT2AMAPTALDH1A1ABCC8
SCHEMBL2872524 0.73 ABCC8 (0.58) MEN1KMT2AALDH1A1ABCC8KCNJ11
SCHEMBL711754 0.67 RAB9A (0.81) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL13568982 0.67 RAB9A (0.87) MEN1KMT2AMAPTALDH1A1RAB9A
Hydrochloric Acid SCHEMBL2870045 0.67 ABCC8 (0.41) ALDH1A1ABCC8KCNJ11CYP1A2CYP2C9
SCHEMBL2830919 0.67 RAB9A (0.81) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL711755 0.67 RAB9A (0.81) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL1670850 0.67 MEN1 (0.59) MEN1KMT2AMAPTALDH1A1CYP1A2
SCHEMBL12324380 0.67 RAB9A (0.64) MEN1KMT2AMAPTALDH1A1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1852428-B1 4-CYCLOPROPYL-1,2,3-THIADIAZOLE COMPOUND, AGROHORTICULTURAL PLANT DISEASE CONTROLLING AGENT AND METHOD OF USING THE SAME NIHON NOHYAKU CO LTD (JP) 2012-05-16 EP disclosed
US-7786040-B2 4-cyclopropyl-1,2,3,-thiadiazole compound, agrohorticultural plant disease controlling agent and method of using the same NIHON NOHYAKU CO., LTD. (JP) 2010-08-31 US disclosed
US-20080200457-A1 4-Cyclopropyl-1,2,3,-Thiadiazole Compound, Agrohorticultural Plant Disease Controlling Agent And Method Of Using The Same NIHON NOHYAKU CO., LTD. (JP) 2008-08-21 US disclosed
EP-1852428-A1 4-CYCLOPROPYL-1,2,3-THIADIAZOLE COMPOUND, AGROHORTICULTURAL PLANT DISEASE CONTROLLING AGENT AND METHOD OF USING THE SAME Nihon Nohyaku Co., Ltd. (JP) 2007-11-07 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080200457-A1 4-Cyclopropyl-1,2,3,-Thiadiazole Compound, Agrohorticultural Plant Disease Controlling Agent And Method Of Using The Same CBR3, CBR1, OSR1 MEN1 3761/4885KMT2A 2053/4885MAPT 2470/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.